General Information of the Compound
| Compound ID |
CP0443092
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| Compound Name |
4-tert-butyl-N-[3-[4-[4-(morpholine-4-carbonyl)anilino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]benzamide
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| Structure |
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| Formula |
C34H34N6O3
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| Molecular Weight |
574.685
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2cccn2n1
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| InChI |
InChI=1S/C34H34N6O3/c1-34(2,3)26-13-9-23(10-14-26)32(41)36-28-7-4-6-25(22-28)30-37-31(29-8-5-17-40(29)38-30)35-27-15-11-24(12-16-27)33(42)39-18-20-43-21-19-39/h4-17,22H,18-21H2,1-3H3,(H,36,41)(H,35,37,38)
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| InChIKey |
XZUQCSLIUAVOLS-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound